(1S,2S,3S,6R,6aS,8aR,10aS,10bR,13S,16aR,17R)-2,3,6,6a,9,10,10a,12,13,16a-Decahydro-8a,13-dihydroxy-2,6a,10b-trimethyl-17,3-(epoxymethano)-1,17:2,6-dimethano-17H-naphtho[1,2-f]furo[3,4-b:2,3-c′]bisoxocin-4,8,11,21(1H,8aH,10bH)-tetrone

CAS Registry Number®

152221-21-1

CAS Name

(1S,2S,3S,6R,6aS,8aR,10aS,10bR,13S,16aR,17R)-2,3,6,6a,9,10,10a,12,13,16a-Decahydro-8a,13-dihydroxy-2,6a,10b-trimethyl-17,3-(epoxymethano)-1,17:2,6-dimethano-17H-naphtho[1,2-f]furo[3,4-b:2,3-c′]bisoxocin-4,8,11,21(1H,8aH,10bH)-tetrone

Molecular Formula

C28H30O10

Molecular Mass

526.53

Cite this Page

(1S,2S,3S,6R,6aS,8aR,10aS,10bR,13S,16aR,17R)-2,3,6,6a,9,10,10a,12,13,16a-Decahydro-8a,13-dihydroxy-2,6a,10b-trimethyl-17,3-(epoxymethano)-1,17:2,6-dimethano-17H-naphtho[1,2-f]furo[3,4-b:2,3-c′]bisoxocin-4,8,11,21(1H,8aH,10bH)-tetrone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=152221-21-1 (retrieved 2024-12-22) (CAS RN: 152221-21-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-16(23)21(32)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)22(33)37-25/h4-5,8,13-16,18-19,29,34H,6-7,9-11H2,1-3H3/t13-,14+,15-,16+,18-,19+,23-,24+,25+,26+,27-,28+/m1/s1

InChIKey

InChIKey=JMNMXSXLYDOMTI-ZIKQACNZSA-N

SMILES

C[C@]12[C@]34[C@@]5([C@@]6(C)[C@@](CO[C@](O3)(C5=O)[C@]7([C@](CC[C@]4(O)C(=O)O1)([C@]8(C)C(C=C7)=C[C@@H](O)CC8=O)[H])[H])(C(=O)O[C@@]2(C6)[H])[H])[H]

Canonical SMILES

O=C1OC2CC3(C)C1COC45OC6(C3C4=O)C(O)(C(=O)OC26C)CCC7C5C=CC8=CC(O)CC(=O)C87C

Other Names for this Substance

  • 17,3-(Epoxymethano)-1,17:2,6-dimethano-17H-naphtho[1,2-f]furo[3,4-b:2,3-c′]bisoxocin-4,8,11,21(1H,8aH,10bH)-tetrone, 2,3,6,6a,9,10,10a,12,13,16a-decahydro-8a,13-dihydroxy-2,6a,10b-trimethyl-, (1S,2S,3S,6R,6aS,8aR,10aS,10bR,13S,16aR,17R)-
  • 16,24-Cyclo-13,14-secoergosta-4,6-diene-18,26-dioic acid, 14,17:14,27-diepoxy-3,13,20,22-tetrahydroxy-1,15-dioxo-, γ-lactone δ-lactone, (3β,14α,16β,22α,25S)-
  • (1S,2S,3S,6R,6aS,8aR,10aS,10bR,13S,16aR,17R)-2,3,6,6a,9,10,10a,12,13,16a-Decahydro-8a,13-dihydroxy-2,6a,10b-trimethyl-17,3-(epoxymethano)-1,17:2,6-dimethano-17H-naphtho[1,2-f]furo[3,4-b:2,3-c′]bisoxocin-4,8,11,21(1H,8aH,10bH)-tetrone
  • Isophysalin G
  • (-)-Isophysalin G

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