Daturadiol

Daturadiol
Names
	IUPAC name (3S,4aR,5R,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,5-diol
Identifiers
CAS Number	41498-79-7;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:138955;
ChEMBL	ChEMBL3633243;
ChemSpider	2341835;
KEGG	C21821;
PubChem CID	3084830;
CompTox Dashboard (EPA)	DTXSID60961769 ;
	InChI InChI=1S/C30H50O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)17-25)9-10-22-28(6)12-11-23(32)26(3,4)24(28)21(31)18-30(22,29)8/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21+,22+,23-,24-,27+,28+,29+,30+/m0/s1 Key: JYNBNJRQZZSLPN-NYVWVNPOSA-N;
	SMILES C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(C[C@H]([C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)O)C)[C@@H]1CC(CC2)(C)C)C;
Properties
Chemical formula	C30H50O2
Molar mass	442.728 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
	Infobox references

Daturadiol is a pentacyclic triterpenoid found in datura spp. including Datura stramonium[1] and Datura innoxia.[2] It is also found in non-solanaceae plants such as Vernicia fordii[3] and Terminalia brasiliensis.[4]

References

Li, J.; Lin, B.; Wang, G.; Gao, H.; Qin, M. (February 2012). "Chemical constituents of Datura stramonium seeds". Zhongguo Zhong Yao Za Zhi = Zhongguo Zhongyao Zazhi = China Journal of Chinese Materia Medica (in Chinese). 37 (3): 319–22. doi:10.4268/cjcmm20120313. PMID 22568232.
Kocór M, Pyrek JS, Atal CK, Bedi KL, Sharma BR (October 1973). "Triterpenes of Datura innoxia Mill. Structure of daturadiol and daturaolone". The Journal of Organic Chemistry. 38 (21): 3685–8. doi:10.1021/jo00961a005. PMID 4745874.
Pei, Yi-Hua; Kwon, Ok-Kyoung; Lee, Ji-Seon; Cha, Hyuk-Jin; Ahn, Kyung-Seop; Oh, Sei-Ryang; Lee, Hyeong-Kyu; Chin, Young-Won (2013). "Triterpenes with Cytotoxicity from the Leaves of Vernicia fordii". Chemical and Pharmaceutical Bulletin. 61 (6): 674–677. doi:10.1248/cpb.c13-00055. ISSN 0009-2363. PMID 23727783.
"Pentacyclic triterpenoids from the leaves of Terminalia brasiliensis | INIS". inis.iaea.org. Retrieved 2020-12-11.

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